N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide

C17H14N4OS — CID 6620476

IUPACN-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)c1ccc2snnc2c1
InChIInChI=1S/C17H14N4OS/c22-17(12-5-6-16-15(10-12)20-21-23-16)18-8-7-13-9-11-3-1-2-4-14(11)19-13/h1-6,9-10,19H,7-8H2,(H,18,22)
InChIKeyKJXHDUFCCMCKBY-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide

N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 6620476) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID6620476
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)c1ccc2snnc2c1
InChIInChI=1S/C17H14N4OS/c22-17(12-5-6-16-15(10-12)20-21-23-16)18-8-7-13-9-11-3-1-2-4-14(11)19-13/h1-6,9-10,19H,7-8H2,(H,18,22)
InChIKeyKJXHDUFCCMCKBY-UHFFFAOYSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
CID 126785743
N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
CID 3149527
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
N-butyl-1,2,3-benzothiadiazole-6-carboxamide
CID 17015087
1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71913118
N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
CID 71967911

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide (CID 6620476) is N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide is O=C(NCCc1cc2ccccc2[nH]1)c1ccc2snnc2c1.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is KJXHDUFCCMCKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-17(12-5-6-16-15(10-12)20-21-23-16)18-8-7-13-9-11-3-1-2-4-14(11)19-13/h1-6,9-10,19H,7-8H2,(H,18,22).
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide?
N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 6620476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).